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canSAR830591
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(NC(=N)N)cc1)C(=O)N2
    InChI
    InChI=1S/C71H104N18O18S2/c1-6-37(3)55-66(103)83-48-35-108-109-36-49(63(100)86-57(39(5)91)67(104)78-43(18-11-12-26-72)59(96)81-47(34-90)61(98)85-56(38(4)7-2)70(107)89-29-15-21-52(89)69(106)88-28-14-20-51(88)65(102)84-55)82-60(97)44(30-41-22-24-42(25-23-41)76-71(73)74)77-53(92)33-75-58(95)45(32-54(93)94)79-64(101)50-19-13-27-87(50)68(105)46(80-62(48)99)31-40-16-9-8-10-17-40/h8-10,16-17,22-25,37-39,43-52,55-57,90-91H,6-7,11-15,18-21,26-36,72H2,1-5H3,(H,75,95)(H,77,92)(H,78,104)(H,79,101)(H,80,99)(H,81,96)(H,82,97)(H,83,103)(H,84,102)(H,85,98)(H,86,100)(H,93,94)(H4,73,74,76)/t37-,38-,39+,43-,44-,45-,46-,47-,48-,49-,50+,51-,52-,55-,56-,57-/m0/s1
    MOLECULAR FORMULA
    C71H104N18O18S2
    CROSS REFERENCES
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    canSAR830591

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1560.72
    AlogP -3.81
    HBond donors 20
    HBond acceptors 36
    Atoms 213
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR830591.